6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one

C23H30N2O2 — CID 11143090

IUPAC6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one
SMILESCOc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-27-23-14-8-7-12-21(23)25-18-16-24(17-19-25)15-9-3-6-13-22(26)20-10-4-2-5-11-20/h2,4-5,7-8,10-12,14H,3,6,9,13,15-19H2,1H3
InChIKeyUIEFMIQLJZLXNN-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.26
Rot. Bonds9

About 6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one

6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one (PubChem CID 11143090) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one
PubChem CID11143090
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one
SMILESCOc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-27-23-14-8-7-12-21(23)25-18-16-24(17-19-25)15-9-3-6-13-22(26)20-10-4-2-5-11-20/h2,4-5,7-8,10-12,14H,3,6,9,13,15-19H2,1H3
InChIKeyUIEFMIQLJZLXNN-UHFFFAOYSA-N
XLogP4.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Fluanisone
CID 15139
AR-C-239
CID 609483
2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
GR-103691
CID 4302960
Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
CID 7079
Nan 190
CID 4431
Mazapertine
CID 60820
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
2-(((4-(2-Methoxyphenyl)-1-piperazinyl)imino)methyl)benzoic acid
CID 5347749
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one (CID 11143090) is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one is COc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2)CC1.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one?
The InChIKey is UIEFMIQLJZLXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-27-23-14-8-7-12-21(23)25-18-16-24(17-19-25)15-9-3-6-13-22(26)20-10-4-2-5-11-20/h2,4-5,7-8,10-12,14H,3,6,9,13,15-19H2,1H3.
What are the key properties of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one?
6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one has a molecular weight of 366.51 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylhexan-1-one is sourced from PubChem (CID 11143090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).